Basic information
- CAS
78907-16-1- Standard SMILES
CC(C)(C)[NH2+]CC(=O)c1c[nH]c2ccccc12.[Cl-]- InChIKey
XZIWFQVPZRINAK-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O
- Average molar mass
- 266.76 g/mol
- Monoisotopic mass
- 266.1185909
Names & identifiers
- Preferred name
- Indole, 3-((tert-butylamino)acetyl)-, hydrochloride, hydrate
- IUPAC
- tert-butyl-[2-(1H-indol-3-yl)-2-oxoethyl]azanium chloride
Names & synonyms
78907-16-1INDOLE, 3-((tert-BUTYLAMINO)ACETYL)-, HYDROCHLORIDE, HYDRATERefChem:10873123-(tert-Butylamino)acetylindole hydrochloride hydrate
Database identifiers
- CAS
78907-16-1- PubChem CID
- 54307
Properties
Computed structural properties
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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